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Compound Detail

CHEMBL107905

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CCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107905
Phase Preclinical
Structure Type MOL
InChI Key ZFBHHYXNZPTIJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.8
MW (Da)
4.45
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O4
MW 387.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
9301675 10.1021/jm970112+ GABA-A receptor; anion channel 1
9301675 10.1021/jm970112+ Translocator protein 1

Data from ChEMBL 36 via Core Engine